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1137475-85-4 | Acetamide, N-[6-[(5-cyano-2-pyrazinyl)amino]-4-[(4-piperidinylmethyl)amino]-3-pyridinyl]-
CAS No: 1137475-85-4 Catalog No: AG0009JO MDL No:
Product Description
Catalog Number:
AG0009JO
Chemical Name:
Acetamide, N-[6-[(5-cyano-2-pyrazinyl)amino]-4-[(4-piperidinylmethyl)amino]-3-pyridinyl]-
CAS Number:
1137475-85-4
Molecular Formula:
C18H22N8O
Molecular Weight:
366.4203
IUPAC Name:
N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)pyridin-3-yl]acetamide
InChI:
InChI=1S/C18H22N8O/c1-12(27)25-16-10-24-17(26-18-11-21-14(7-19)9-23-18)6-15(16)22-8-13-2-4-20-5-3-13/h6,9-11,13,20H,2-5,8H2,1H3,(H,25,27)(H2,22,23,24,26)
InChI Key:
PUWXRWRIEGIWQC-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)NCC1CCNCC1)NC(=O)C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.192g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
366.429g/mol
Monoisotopic Mass:
366.192g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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